N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide

C18H25Cl2N3O3 — CID 56538621

IUPACN'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide
SMILESCCCNC(=O)CCC(=O)N(CCC)CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H25Cl2N3O3/c1-3-9-21-16(24)7-8-18(26)23(10-4-2)12-17(25)22-15-11-13(19)5-6-14(15)20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyZIHBXYLVGWYMSA-UHFFFAOYSA-N
MW402.32 g/mol
LogP3.48
Rot. Bonds10

About N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide

N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide (PubChem CID 56538621) has the molecular formula C18H25Cl2N3O3 and a molecular weight of 402.32 g/mol. Its IUPAC name is N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide.

Molecular Properties

Compound NameN'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide
PubChem CID56538621
Molecular FormulaC18H25Cl2N3O3
Molecular Weight402.32 g/mol
Exact Mass401.13
IUPAC NameN'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide
SMILESCCCNC(=O)CCC(=O)N(CCC)CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H25Cl2N3O3/c1-3-9-21-16(24)7-8-18(26)23(10-4-2)12-17(25)22-15-11-13(19)5-6-14(15)20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyZIHBXYLVGWYMSA-UHFFFAOYSA-N
XLogP3.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
N-(2,5-dichlorophenyl)-2-[[2-(2-methoxyethoxy)acetyl]-propylamino]acetamide
CID 78797414
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide
CID 31970051
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3,4-dimethyl-N-propylbenzamide
CID 112789981
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)-N-propylacetamide
CID 78806558
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 7696648
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247
N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide
CID 55666998
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide
CID 52892061
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42977412
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 60546451

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide?
The IUPAC name of N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide (CID 56538621) is N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide.
What is the SMILES notation for N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide?
The canonical SMILES for N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide is CCCNC(=O)CCC(=O)N(CCC)CC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide?
The InChIKey is ZIHBXYLVGWYMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O3/c1-3-9-21-16(24)7-8-18(26)23(10-4-2)12-17(25)22-15-11-13(19)5-6-14(15)20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide?
N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide has a molecular weight of 402.32 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide is sourced from PubChem (CID 56538621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).